4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide

C31H38N4O — CID 42670939

IUPAC4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C31H38N4O/c1-23-10-9-13-26(20-23)29-32-22-28(31(36)34(2)27-14-7-4-8-15-27)30(33-29)35-18-16-25(17-19-35)21-24-11-5-3-6-12-24/h3,5-6,9-13,20,22,25,27H,4,7-8,14-19,21H2,1-2H3
InChIKeyRRXFXUMIFCPSIV-UHFFFAOYSA-N
MW482.67 g/mol
LogP6.32
Rot. Bonds6

About 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide

4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 42670939) has the molecular formula C31H38N4O and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID42670939
Molecular FormulaC31H38N4O
Molecular Weight482.67 g/mol
Exact Mass482.30
IUPAC Name4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C31H38N4O/c1-23-10-9-13-26(20-23)29-32-22-28(31(36)34(2)27-14-7-4-8-15-27)30(33-29)35-18-16-25(17-19-35)21-24-11-5-3-6-12-24/h3,5-6,9-13,20,22,25,27H,4,7-8,14-19,21H2,1-2H3
InChIKeyRRXFXUMIFCPSIV-UHFFFAOYSA-N
XLogP6.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
[4-(4-benzylpiperazin-1-yl)-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670917
2-(3-methylphenyl)-4-(4-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670785
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670184
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 42670869
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 42670372

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide (CID 42670939) is 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N3CCC(Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RRXFXUMIFCPSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O/c1-23-10-9-13-26(20-23)29-32-22-28(31(36)34(2)27-14-7-4-8-15-27)30(33-29)35-18-16-25(17-19-35)21-24-11-5-3-6-12-24/h3,5-6,9-13,20,22,25,27H,4,7-8,14-19,21H2,1-2H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide?
4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).